methyl (Z,2S)-2-[(1R)-1-hydroxy-2-oxopropyl]octadec-9-enoate
| Internal ID | 76ca6f81-7e27-4eac-82d3-8c473c028c27 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | methyl (Z,2S)-2-[(1R)-1-hydroxy-2-oxopropyl]octadec-9-enoate |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCC(C(C(=O)C)O)C(=O)OC |
| SMILES (Isomeric) | CCCCCCCC/C=C\CCCCCC[C@@H]([C@H](C(=O)C)O)C(=O)OC |
| InChI | InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26-3)21(24)19(2)23/h11-12,20-21,24H,4-10,13-18H2,1-3H3/b12-11-/t20-,21-/m0/s1 |
| InChI Key | RKVXHJRCUIJAHS-UFFGUFBSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H40O4 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of methyl (Z,2S)-2-[(1R)-1-hydroxy-2-oxopropyl]octadec-9-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-z2s-2-1r-1-hydroxy-2-oxopropyloctadec-9-enoate.jpg "2D Structure of methyl (Z,2S)-2-[(1R)-1-hydroxy-2-oxopropyl]octadec-9-enoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.64% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.15% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.95% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.82% | 92.86% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.49% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.15% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.08% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.03% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.65% | 92.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.03% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.61% | 91.81% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.35% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.30% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.86% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.48% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.76% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.40% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.38% | 89.34% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.36% | 95.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.87% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.35% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.72% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.43% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.39% | 85.94% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.15% | 87.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.13% | 96.90% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.88% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.29% | 98.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Zygogynum acsmithii |
| PubChem | 42611886 |
| LOTUS | LTS0121369 |
| wikiData | Q105239309 |